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	hartrees
Energy at 0K	-552.964379
Energy at 298.15K	-552.964056
Nuclear repulsion energy	74.863677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2329	2242	48.56
2	Σ	756	728	9.62
3	Π	399	385	2.54
3	Π	399	385	2.54

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.977
C2	0.000	0.000	-0.656
N3	0.000	0.000	-1.811

	Cl1	C2	N3
Cl1		1.6332	2.7888
C2	1.6332		1.1556
N3	2.7888	1.1556

Number	Element	Mulliken
1	Cl	0.113
2	C	0.146
3	N	-0.259

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: B3PW91/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	56.948
(<r²>)^1/2	7.546